SCHEMBL7475200

SCHEMBL7475200

CC(C)[C@@H](C(=O)Nc1n[nH]c(=S)s1)N(C(=O)OCc1ccccc1)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.47
MMP1 P03956 9/20 0.47
MMP2 P08253 6/20 0.44
MMP8 P22894 5/20 0.43
MMP9 P14780 4/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7562073 0.81 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6968687 0.77 MMP3 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6968692 0.77 MMP3 (0.56) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7399055 0.76 MMP3 (0.44) MMP3MMP1MMP2MMP8MMP9
SCHEMBL7360710 0.74 MMP3 (0.53) MMP3MMP1MMP2MMP8MMP9
SCHEMBL8902722 0.74 MMP3 (0.46) MMP3MMP1MMP2MMP8MMP9
SCHEMBL8708490 0.74 MMP3 (0.52) MMP3MMP1MMP2CA1CA2
SCHEMBL6957803 0.74 MMP3 (0.55) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6957808 0.74 MMP3 (0.55) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6961636 0.73 CTSK (0.59) MMP3MMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed